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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-N-(2-furylmethyl)propanamide (2S)-2-[[(1R,8aR)-1,2,3,5,6,7,8,…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.23 4.83 -34.17 3 5 1 59 292.403 5 ↓
Hi High (pH 8-9.5) 1.23 2.59 -7.23 2 5 0 58 291.395 5 ↓
Hi High (pH 8-9.5) 1.23 3.81 -36.19 3 5 1 62 292.403 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[(1R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-N-(2-furylmethyl)propanamide (2R)-2-[[(1R,8aR)-1,2,3,5,6,7,8,…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.23 5.07 -34.77 3 5 1 59 292.403 5 ↓
Hi High (pH 8-9.5) 1.23 3.86 -37.82 3 5 1 62 292.403 5 ↓
Hi High (pH 8-9.5) 1.23 2.81 -8.69 2 5 0 58 291.395 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-N-(2-furylmethyl)propanamide (2S)-2-[[(1S,8aR)-1,2,3,5,6,7,8,…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.23 4.79 -35.53 3 5 1 59 292.403 5 ↓
Hi High (pH 8-9.5) 1.23 2.54 -6.65 2 5 0 58 291.395 5 ↓
Hi High (pH 8-9.5) 1.23 3.57 -39.1 3 5 1 62 292.403 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]amino]-N-(2-furylmethyl)propanamide (2R)-2-[[(1S,8aR)-1,2,3,5,6,7,8,…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.23 4.76 -37.72 3 5 1 59 292.403 5 ↓
Hi High (pH 8-9.5) 1.23 2.5 -7.78 2 5 0 58 291.395 5 ↓
Hi High (pH 8-9.5) 1.23 3.55 -40.03 3 5 1 62 292.403 5 ↓

Parameters Provided:

ring.id = 588751
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 588751 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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